(CuCl)LaTa 2O 7 and quantum phase transition in the (CuX)LaM 2O 7 family (X=Cl, Br; M=Nb, Ta)

Physical Review B - Condensed Matter and Materials Physics

Volumn 86, Issue 6, 2012, Pages

  Tsirlin, Alexander A ^a   Abakumov, Artem M ^b   Ritter, Clemens ^c   Rosner, Helge ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^b UNIVERSITY OF ANTWERP   (Belgium)

^c INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84865675183     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.064440     Document Type: Article

References (63)

1. Ch. Rüegg, N. Cavadini, A. Furrer, H.-U. Güdel, K. Krämer, H. Mutka, A. Wildes, K. Habicht, and P. Vorderwisch, Nature (London) NATUAS 0028-0836 10.1038/nature01617 423, 62 (2003).
2. C. Rüegg, A. Furrer, D. Sheptyakov, T. Strässle, K. W. Krämer, H.-U. Güdel, and L. Mélési, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.257201 93, 257201 (2004);
3. C. Rüegg, B. Normand, M. Matsumoto, A. Furrer, D. F. McMorrow, K. W. Krämer, H. U. Güdel, S. N. Gvasaliya, H. Mutka, and M. Boehm, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.205701 100, 205701 (2008).
4. S. E. Sebastian, N. Harrison, C. D. Batista, L. Balicas, M. Jaime, P. A. Sharma, N. Kawashima, and I. R. Fisher, Nature (London) NATUAS 0028-0836 10.1038/nature04732 441, 617 (2006);
5. S. E. Sebastian, P. A. Sharma, M. Jaime, N. Harrison, V. Correa, L. Balicas, N. Kawashima, C. D. Batista, and I. R. Fisher, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.100404 72, 100404 (R) (2005).
6. M. B. Stone, C. Broholm, D. H. Reich, O. Tchernyshyov, P. Vorderwisch, and N. Harrison, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.257203 96, 257203 (2006);
7. M. B. Stone, C. Broholm, D. H. Reich, P. Schiffer, O. Tchernyshyov, P. Vorderwisch, and N. Harrison, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/9/ 2/031 9, 31 (2007).
8. V. S. Zapf, D. Zocco, B. R. Hansen, M. Jaime, N. Harrison, C. D. Batista, M. Kenzelmann, C. Niedermayer, A. Lacerda, and A. Paduan-Filho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.077204 96, 077204 (2006);
9. A. Paduan-Filho, K. A. Al-Hassanieh, P. Sengupta, and M. Jaime, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.077204 102, 077204 (2009).
10. H. Manaka, A. V. Kolomiets, and T. Goto, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.077204 101, 077204 (2008);
11. T. Hong, A. Zheludev, H. Manaka, and L.-P. Regnault, Phys. Rev. B 1098-0121 10.1103/PhysRevB.81.060410 81, 060410 (R) (2010).
12. P. T. Cong, B. Wolf, M. de Souza, N. Krüger, A. A. Haghighirad, S. Gottlieb-Schoenmeyer, F. Ritter, W. Assmus, I. Opahle, K. Foyevtsova, H. O. Jeschke, R. Valentí, L. Wiehl, and M. Lang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.064425 83, 064425 (2011).
13. E. Wulf, S. Mühlbauer, T. Yankova, and A. Zheludev, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.174414 84, 174414 (2011).
14. A. Kitada, Y. Tsujimoto, H. Kageyama, Y. Ajiro, M. Nishi, Y. Narumi, K. Kindo, M. Ichihara, Y. Ueda, Y. J. Uemura, and K. Yoshimura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.174409 80, 174409 (2009).
15. H. Kageyama, T. Kitano, N. Oba, M. Nishi, S. Nagai, K. Hirota, L. Viciu, J. B. Wiley, J. Yasuda, Y. Baba, Y. Ajiro, and K. Yoshimura, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.74.1702 74, 1702 (2005);
16. H. Kageyama, J. Yasuda, T. Kitano, K. Totsuka, Y. Narumi, M. Hagiwara, K. Kindo, Y. Baba, N. Oba, Y. Ajiro, and K. Yoshimura, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.74.3155 74, 3155 (2005).
17. H. Kageyama, T. Kitano, R. Nakanishi, J. Yasuda, N. Oba, Y. Baba, M. Nishi, Y. Ueda, Y. Ajiro, and K. Yoshimura, Prog. Theor. Phys. Suppl. PTPSAL 0375-9687 10.1143/PTPS.159.39 159, 39 (2005).
18. Y. J. Uemura, A. A. Aczel, Y. Ajiro, J. P. Carlo, T. Goko, D. A. Goldfeld, A. Kitada, G. M. Luke, G. J. MacDougall, I. G. Mihailescu, J. A. Rodriguez, P. L. Russo, Y. Tsujimoto, C. R. Wiebe, T. J. Williams, T. Yamamoto, K. Yoshimura, and H. Kageyama, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.174408 80, 174408 (2009).
19. T. A. Kodenkandath, J. N. Lalena, W. L. Zhou, E. E. Carpenter, C. Sangregorio, A. U. Falster, W. B. Simmons, Jr., C. J. O'Connor, and J. B. Wiley, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja991566u 121, 10743 (1999).
20. T. A. Kodenkandath, A. S. Kumbhar, W. L. Zhou, and J. B. Wiley, Inorg. Chem INOCAJ 0020-1669 10.1021/ic0008215 40, 710 (2001).
21. A. A. Tsirlin, A. M. Abakumov, G. Van Tendeloo, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.054107 82, 054107 (2010).
22. C. Tassel, J. Kang, C. Lee, O. Hernandez, Y. Qiu, W. Paulus, E. Collet, B. Lake, T. Guidi, M.-H. Whangbo, C. Ritter, H. Kageyama, and S.-H. Lee, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.167205 105, 167205 (2010).
23. O. J. Hernandez, C. Tassel, K. Nakano, W. Paulus, C. Ritter, E. Collet, A. Kitada, K. Yoshimura, and H. Kageyama, Dalton Trans. 1477-9226 10.1039/c0dt01665a 40, 4605 (2011).
24. A. A. Tsirlin, A. M. Abakumov, C. Ritter, P. F. Henry, O. Janson, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.214427 85, 214427 (2012).
25. A. A. Tsirlin and H. Rosner, Phys. Rev. B 1098-0121 10.1103/PhysRevB.82. 060409 82, 060409 (R) (2010).
26. V. Petřiček, M. Duek, and L. Palatinus, Jana2006: The crystallographic computing system, Institute of Physics, Prague, Czech Republic.
27. J. Rodríguez-Carvajal, Physica B PHYBE3 0921-4526 10.1016/0921-4526(93)90108-I 192, 55 (1993).
28. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
29. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
30. K. Koepernik and H. Eschrig, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1743 59, 1743 (1999).
31. S. Todo and K. Kato, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.047203 87, 047203 (2001).
32. F. Alet, S. Wessel, and M. Troyer, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.71.036706 71, 036706 (2005), and references therein.
33. A. Albuquerque, F. Alet, P. Corboz, P. Dayal, A. Feiguin, S. Fuchs, L. Gamper, E. Gull, S. Gürtler, A. Honecker, R. Igarashi, M. Körner, A. Kozhevnikov, A. Läuchli, S. Manmana, M. Matsumoto, I. McCulloch, F. Michel, R. Noack, G. Pawłowski, L. Pollet, T. Pruschke, U. Schollwöck, S. Todo, S. Trebst, M. Troyer, P. Werner, and S. Wessel, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/j.jmmm.2006.10.304 310, 1187 (2007).
34. Weak unindexed reflections at 2 θ = 22 deg and 31.5 deg are likely experimental artifacts arising, e.g., from the cryostat. We did not observe these extra reflections in the D2B and synchrotron data.
35. Here we refer to the conventional Glazer's notation, where + / - stand for the in-phase/out-of-phase rotations about the respective crystallographic directions, and zero denotes the absence of the tilt.
36. 7 reveals an even larger Cu-Cl-Cu angle of 109.6(2) deg (Ref. ).
37. d = 4.5 eV. This choice has been justified in Refs. and, where the results of the LDA-based and GGA-based relaxations are compared to the experiment.
38. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.86.064440 for details of the structure refinement and the results of thermal analysis.
39. A. A. Tsirlin, O. Janson, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.144416 82, 144416 (2010).
40. A. A. Tsirlin and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.024424 81, 024424 (2010).
41. O. Janson, I. Rousochatzakis, A. A. Tsirlin, J. Richter, Y. Skourski, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.064404 85, 064404 (2012).
42. GGA+ U calculations lead to qualitatively similar results and feature the same ambiguity related to the AMF and FLL flavors of DFT+ U.
43. O. Janson, A. A. Tsirlin, M. Schmitt, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.014424 82, 014424 (2010).
44. A. A. Tsirlin and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.064415 83, 064415 (2011).
45. O. Janson, J. Richter, P. Sindzingre, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.104434 82, 104434 (2010).
46. A. A. Tsirlin, O. Janson, and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.144429 84, 144429 (2011).
47. H. Eschrig and K. Koepernik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.104503 80, 104503 (2009).
48. A. A. Tsirlin and H. Rosner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.214416 79, 214416 (2009).
49. M. Yoshida, N. Ogata, M. Takigawa, J. Yamaura, M. Ichihara, T. Kitano, H. Kageyama, Y. Ajiro, and K. Yoshimura, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.76.104703 76, 104703 (2007).
50. V. V. Mazurenko, S. L. Skornyakov, A. V. Kozhevnikov, F. Mila, and V. I. Anisimov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.224408 75, 224408 (2007).
51. S. Furukawa, T. Dodds, and Y. B. Kim, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.054432 84, 054432 (2011).
52. M. Yoshida, N. Ogata, M. Takigawa, T. Kitano, H. Kageyama, Y. Ajiro, and K. Yoshimura, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.77.104705 77, 104705 (2008).
53. Here we used the L × L × L finite lattice with L = 8.
54. A. W. Sandvik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.56.11678 56, 11678 (1997).
55. d = 8.5 eV.
56. P. Sengupta, A. W. Sandvik, and R. R. P. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.094423 68, 094423 (2003).
57. A. F. Albuquerque, M. Troyer, and J. Oitmaa, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.132402 78, 132402 (2008).
58. A. Oosawa, M. Fujisawa, T. Osakabe, K. Kakurai, and H. Tanaka, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.72.1026 72, 1026 (2003);
59. A. Oosawa, K. Kakurai, T. Osakabe, M. Nakamura, M. Takeda, and H. Tanaka, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.73.1446 73, 1446 (2004);
60. K. Goto, M. Fujisawa, T. Ono, H. Tanaka, and Y. Uwatoko, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.73.3254 73, 3254 (2004).
61. Ch. Rüegg, M. Oettli, J. Schefer, O. Zaharko, A. Furrer, H. Tanaka, K. W. Krämer, H.-U. Güdel, P. Vorderwisch, K. Habicht, T. Polinski, and M. Meissner, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.037207 93, 037207 (2004);
62. M. Matsumoto, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.180403 68, 180403 (2003).
63. N. Oba, H. Kageyama, T. Kitano, J. Yasuda, Y. Baba, M. Nishi, K. Hirota, Y. Narumi, M. Hagiwara, K. Kindo, T. Saito, Y. Ajiro, and K. Yoshimura, J. Phys. Soc. Jpn JUPSAU 0031-9015 10.1143/JPSJ.75.113601 75, 113601 (2006).